1-methyl-N-[3-(2-propoxyphenyl)propyl]piperidine-2-carboxamide

• ChemBase ID: 585203
• Molecular Formular: C19H30N2O2
• Molecular Mass: 318.4537
• Monoisotopic Mass: 318.23072821
• SMILES: N1(C(C(=O)NCCCc2c(OCCC)cccc2)CCCC1)C
• Canonical SMILES: CCCOc1ccccc1CCCNC(=O)C1CCCCN1C
• InChI: InChI=1S/C19H30N2O2/c1-3-15-23-18-12-5-4-9-16(18)10-8-13-20-19(22)17-11-6-7-14-21(17)2/h4-5,9,12,17H,3,6-8,10-11,13-15H2,1-2H3,(H,20,22)
• InChIKey: PWBBITUKIDHOFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-[3-(2-propoxyphenyl)propyl]piperidine-2-carboxamide
• IUPAC Traditional name: 1-methyl-N-[3-(2-propoxyphenyl)propyl]piperidine-2-carboxamide
• Synonyms: 1-methyl-N-[3-(2-propoxyphenyl)propyl]piperidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.729005
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0078539
• LogD (pH = 7.4): 2.7479312
• Log P: 3.3265707
• Molar Refractivity: 94.3833 cm^3
• Polarizability: 36.954865 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.23
• LOG S: -4.28
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8